USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 GLN : amide:sc= 0.0251 X(o=0.051,f=0) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -162:sc= 0.0264 (180deg=-0.022) USER MOD Set 2.1: A 2 THR OG1 : rot 67:sc= 0.604 USER MOD Set 2.2: A 13 GLN :FLIP amide:sc= -1.02 F(o=-2.8,f=-0.42) USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= 0.525 USER MOD Set 3.2: A 8 LYS NZ :NH3+ -134:sc= 0.855 (180deg=0.0506) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= -0.0855 (180deg=-0.485) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= -0.373 (180deg=-0.494) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.0158 (180deg=-0.316) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -114:sc= 1.05 USER MOD Single : A 32 THR OG1 : rot 40:sc= 0.976 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.0316 (180deg=-0.384) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0547 (180deg=-0.447) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 162:sc= -0.0356 (180deg=-0.425) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0769 (180deg=-0.417) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.844 0.080 8.766 1.00 0.00 N ATOM 2 CA ALA A 1 2.739 -0.374 7.372 1.00 0.00 C ATOM 3 C ALA A 1 1.337 -0.909 7.125 1.00 0.00 C ATOM 4 O ALA A 1 1.095 -2.115 7.122 1.00 0.00 O ATOM 5 CB ALA A 1 3.771 -1.468 7.120 1.00 0.00 C ATOM 0 H1 ALA A 1 3.801 0.447 8.940 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.148 0.833 8.939 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.657 -0.718 9.406 1.00 0.00 H new ATOM 0 HA ALA A 1 2.929 0.457 6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.696 -1.808 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.771 -1.074 7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.584 -2.306 7.792 1.00 0.00 H new ATOM 13 N THR A 2 0.395 -0.009 6.915 1.00 0.00 N ATOM 14 CA THR A 2 -0.971 -0.468 6.673 1.00 0.00 C ATOM 15 C THR A 2 -1.787 0.660 6.065 1.00 0.00 C ATOM 16 O THR A 2 -1.448 1.839 6.162 1.00 0.00 O ATOM 17 CB THR A 2 -1.600 -0.933 7.985 1.00 0.00 C ATOM 18 OG1 THR A 2 -2.938 -1.343 7.745 1.00 0.00 O ATOM 19 CG2 THR A 2 -1.605 0.191 9.020 1.00 0.00 C ATOM 0 H THR A 2 0.533 1.002 6.905 1.00 0.00 H new ATOM 0 HA THR A 2 -0.955 -1.307 5.977 1.00 0.00 H new ATOM 0 HB THR A 2 -1.010 -1.763 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.938 -2.147 7.185 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.058 -0.167 9.944 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.581 0.508 9.217 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.179 1.035 8.638 1.00 0.00 H new ATOM 27 N VAL A 3 -2.885 0.298 5.429 1.00 0.00 N ATOM 28 CA VAL A 3 -3.745 1.330 4.858 1.00 0.00 C ATOM 29 C VAL A 3 -5.141 0.749 4.686 1.00 0.00 C ATOM 30 O VAL A 3 -5.327 -0.346 4.158 1.00 0.00 O ATOM 31 CB VAL A 3 -3.156 1.818 3.532 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.026 0.678 2.525 1.00 0.00 C ATOM 33 CG2 VAL A 3 -4.033 2.916 2.937 1.00 0.00 C ATOM 0 H VAL A 3 -3.199 -0.663 5.295 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.809 2.195 5.518 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.161 2.212 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.605 1.060 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.371 -0.093 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.010 0.252 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.603 3.254 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.035 2.525 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.088 3.754 3.632 1.00 0.00 H new ATOM 43 N LYS A 4 -6.139 1.472 5.160 1.00 0.00 N ATOM 44 CA LYS A 4 -7.497 0.943 5.063 1.00 0.00 C ATOM 45 C LYS A 4 -8.126 1.414 3.762 1.00 0.00 C ATOM 46 O LYS A 4 -8.546 2.561 3.622 1.00 0.00 O ATOM 47 CB LYS A 4 -8.315 1.430 6.255 1.00 0.00 C ATOM 48 CG LYS A 4 -7.750 0.867 7.559 1.00 0.00 C ATOM 49 CD LYS A 4 -8.494 1.415 8.778 1.00 0.00 C ATOM 50 CE LYS A 4 -9.950 0.951 8.818 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.013 -0.516 8.880 1.00 0.00 N ATOM 0 H LYS A 4 -6.050 2.388 5.599 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.475 -0.147 5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.306 2.519 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.355 1.123 6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.821 -0.221 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.692 1.117 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.986 1.093 9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.461 2.504 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.453 1.381 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.478 1.308 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.955 -0.809 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.838 -0.911 7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.291 -0.867 9.541 1.00 0.00 H new ATOM 65 N PHE A 5 -8.203 0.516 2.796 1.00 0.00 N ATOM 66 CA PHE A 5 -8.843 0.887 1.537 1.00 0.00 C ATOM 67 C PHE A 5 -10.348 0.736 1.701 1.00 0.00 C ATOM 68 O PHE A 5 -10.936 -0.295 1.379 1.00 0.00 O ATOM 69 CB PHE A 5 -8.324 -0.030 0.431 1.00 0.00 C ATOM 70 CG PHE A 5 -9.018 0.250 -0.880 1.00 0.00 C ATOM 71 CD1 PHE A 5 -8.944 1.468 -1.433 1.00 0.00 C ATOM 72 CD2 PHE A 5 -9.694 -0.727 -1.499 1.00 0.00 C ATOM 73 CE1 PHE A 5 -9.554 1.710 -2.603 1.00 0.00 C ATOM 74 CE2 PHE A 5 -10.303 -0.486 -2.668 1.00 0.00 C ATOM 75 CZ PHE A 5 -10.233 0.734 -3.218 1.00 0.00 C ATOM 0 H PHE A 5 -7.848 -0.439 2.848 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.614 1.919 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.249 0.109 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.481 -1.071 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.394 2.254 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.748 -1.710 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.497 2.692 -3.049 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -10.849 -1.273 -3.166 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.725 0.930 -4.159 1.00 0.00 H new ATOM 85 N LYS A 6 -10.983 1.769 2.225 1.00 0.00 N ATOM 86 CA LYS A 6 -12.418 1.659 2.476 1.00 0.00 C ATOM 87 C LYS A 6 -13.176 1.624 1.161 1.00 0.00 C ATOM 88 O LYS A 6 -12.833 2.299 0.192 1.00 0.00 O ATOM 89 CB LYS A 6 -12.884 2.861 3.296 1.00 0.00 C ATOM 90 CG LYS A 6 -12.222 2.889 4.671 1.00 0.00 C ATOM 91 CD LYS A 6 -12.714 4.103 5.457 1.00 0.00 C ATOM 92 CE LYS A 6 -12.112 4.128 6.861 1.00 0.00 C ATOM 93 NZ LYS A 6 -12.574 2.961 7.627 1.00 0.00 N ATOM 0 H LYS A 6 -10.555 2.660 2.478 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.613 0.738 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.651 3.781 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.967 2.825 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.454 1.973 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.138 2.929 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.446 5.017 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.802 4.080 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.024 4.125 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.400 5.046 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.243 3.038 8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.613 2.926 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.193 2.093 7.200 1.00 0.00 H new ATOM 107 N TYR A 7 -14.240 0.843 1.137 1.00 0.00 N ATOM 108 CA TYR A 7 -15.089 0.828 -0.050 1.00 0.00 C ATOM 109 C TYR A 7 -16.527 0.754 0.442 1.00 0.00 C ATOM 110 O TYR A 7 -16.805 0.232 1.521 1.00 0.00 O ATOM 111 CB TYR A 7 -14.718 -0.383 -0.904 1.00 0.00 C ATOM 112 CG TYR A 7 -15.497 -0.408 -2.200 1.00 0.00 C ATOM 113 CD1 TYR A 7 -15.400 0.614 -3.063 1.00 0.00 C ATOM 114 CD2 TYR A 7 -16.274 -1.460 -2.494 1.00 0.00 C ATOM 115 CE1 TYR A 7 -16.084 0.585 -4.215 1.00 0.00 C ATOM 116 CE2 TYR A 7 -16.959 -1.487 -3.646 1.00 0.00 C ATOM 117 CZ TYR A 7 -16.863 -0.464 -4.506 1.00 0.00 C ATOM 118 OH TYR A 7 -17.561 -0.494 -5.685 1.00 0.00 O ATOM 0 H TYR A 7 -14.534 0.228 1.896 1.00 0.00 H new ATOM 0 HA TYR A 7 -14.960 1.717 -0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -13.650 -0.363 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -14.912 -1.298 -0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.771 1.460 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.348 -2.286 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -16.007 1.409 -4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -17.588 -2.333 -3.881 1.00 0.00 H new ATOM 0 HH TYR A 7 -18.076 -1.326 -5.739 1.00 0.00 H new ATOM 128 N LYS A 8 -17.461 1.293 -0.322 1.00 0.00 N ATOM 129 CA LYS A 8 -18.840 1.311 0.164 1.00 0.00 C ATOM 130 C LYS A 8 -19.391 -0.106 0.243 1.00 0.00 C ATOM 131 O LYS A 8 -20.300 -0.400 1.018 1.00 0.00 O ATOM 132 CB LYS A 8 -19.692 2.157 -0.778 1.00 0.00 C ATOM 133 CG LYS A 8 -19.664 1.581 -2.191 1.00 0.00 C ATOM 134 CD LYS A 8 -20.517 2.436 -3.124 1.00 0.00 C ATOM 135 CE LYS A 8 -20.515 1.867 -4.540 1.00 0.00 C ATOM 136 NZ LYS A 8 -19.149 1.881 -5.087 1.00 0.00 N ATOM 0 H LYS A 8 -17.308 1.708 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.865 1.744 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.719 2.193 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.322 3.182 -0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.638 1.544 -2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.037 0.557 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.539 2.482 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.136 3.457 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.902 0.848 -4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.177 2.454 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.167 2.258 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.543 2.482 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.770 0.913 -5.099 1.00 0.00 H new ATOM 150 N GLY A 9 -18.848 -1.003 -0.558 1.00 0.00 N ATOM 151 CA GLY A 9 -19.343 -2.374 -0.512 1.00 0.00 C ATOM 152 C GLY A 9 -18.779 -3.110 0.695 1.00 0.00 C ATOM 153 O GLY A 9 -19.470 -3.893 1.346 1.00 0.00 O ATOM 0 H GLY A 9 -18.096 -0.824 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.432 -2.371 -0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.064 -2.897 -1.426 1.00 0.00 H new ATOM 157 N GLU A 10 -17.515 -2.880 1.005 1.00 0.00 N ATOM 158 CA GLU A 10 -16.923 -3.617 2.119 1.00 0.00 C ATOM 159 C GLU A 10 -15.590 -2.985 2.493 1.00 0.00 C ATOM 160 O GLU A 10 -14.754 -2.684 1.642 1.00 0.00 O ATOM 161 CB GLU A 10 -16.718 -5.072 1.697 1.00 0.00 C ATOM 162 CG GLU A 10 -16.129 -5.914 2.826 1.00 0.00 C ATOM 163 CD GLU A 10 -17.051 -5.926 4.035 1.00 0.00 C ATOM 164 OE1 GLU A 10 -18.170 -6.474 3.932 1.00 0.00 O ATOM 165 OE2 GLU A 10 -16.663 -5.389 5.094 1.00 0.00 O ATOM 0 H GLU A 10 -16.898 -2.221 0.529 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.584 -3.582 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.672 -5.498 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.055 -5.109 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.967 -6.934 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.155 -5.516 3.111 1.00 0.00 H new ATOM 172 N GLU A 11 -15.369 -2.789 3.781 1.00 0.00 N ATOM 173 CA GLU A 11 -14.083 -2.236 4.196 1.00 0.00 C ATOM 174 C GLU A 11 -13.001 -3.282 3.988 1.00 0.00 C ATOM 175 O GLU A 11 -13.221 -4.480 4.161 1.00 0.00 O ATOM 176 CB GLU A 11 -14.153 -1.820 5.665 1.00 0.00 C ATOM 177 CG GLU A 11 -14.474 -3.007 6.570 1.00 0.00 C ATOM 178 CD GLU A 11 -14.532 -2.567 8.023 1.00 0.00 C ATOM 179 OE1 GLU A 11 -13.484 -2.594 8.703 1.00 0.00 O ATOM 180 OE2 GLU A 11 -15.627 -2.190 8.495 1.00 0.00 O ATOM 0 H GLU A 11 -16.028 -2.992 4.532 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.846 -1.356 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.202 -1.380 5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.914 -1.050 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.428 -3.447 6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.716 -3.781 6.448 1.00 0.00 H new ATOM 187 N LEU A 12 -11.817 -2.837 3.606 1.00 0.00 N ATOM 188 CA LEU A 12 -10.733 -3.795 3.397 1.00 0.00 C ATOM 189 C LEU A 12 -9.479 -3.272 4.078 1.00 0.00 C ATOM 190 O LEU A 12 -9.414 -2.127 4.525 1.00 0.00 O ATOM 191 CB LEU A 12 -10.467 -3.964 1.899 1.00 0.00 C ATOM 192 CG LEU A 12 -11.650 -4.584 1.151 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.354 -4.570 -0.346 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.883 -6.025 1.597 1.00 0.00 C ATOM 0 H LEU A 12 -11.581 -1.859 3.438 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.012 -4.761 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.238 -2.991 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.586 -4.591 1.760 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.545 -4.002 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.192 -5.010 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.207 -3.542 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.451 -5.148 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.729 -6.443 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.991 -6.618 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.096 -6.045 2.666 1.00 0.00 H new ATOM 206 N GLN A 13 -8.466 -4.115 4.158 1.00 0.00 N ATOM 207 CA GLN A 13 -7.220 -3.670 4.775 1.00 0.00 C ATOM 208 C GLN A 13 -6.068 -4.325 4.029 1.00 0.00 C ATOM 209 O GLN A 13 -5.733 -5.489 4.247 1.00 0.00 O ATOM 210 CB GLN A 13 -7.237 -4.048 6.258 1.00 0.00 C ATOM 211 CG GLN A 13 -6.026 -3.508 7.020 1.00 0.00 C ATOM 212 CD GLN A 13 -4.764 -4.307 6.736 1.00 0.00 C ATOM 213 OE1 GLN A 13 -3.744 -3.639 6.229 1.00 0.00 O flip ATOM 214 NE2 GLN A 13 -4.696 -5.514 6.966 1.00 0.00 N flip ATOM 0 H GLN A 13 -8.472 -5.077 3.819 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.102 -2.588 4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.149 -3.665 6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.265 -5.134 6.351 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.863 -2.465 6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.234 -3.529 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.500 -6.005 7.358 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.836 -6.024 6.765 1.00 0.00 H new ATOM 223 N VAL A 14 -5.451 -3.573 3.136 1.00 0.00 N ATOM 224 CA VAL A 14 -4.317 -4.127 2.403 1.00 0.00 C ATOM 225 C VAL A 14 -3.034 -3.606 3.032 1.00 0.00 C ATOM 226 O VAL A 14 -2.893 -2.424 3.336 1.00 0.00 O ATOM 227 CB VAL A 14 -4.415 -3.734 0.928 1.00 0.00 C ATOM 228 CG1 VAL A 14 -5.665 -4.357 0.312 1.00 0.00 C ATOM 229 CG2 VAL A 14 -4.471 -2.217 0.761 1.00 0.00 C ATOM 0 H VAL A 14 -5.700 -2.612 2.903 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.320 -5.216 2.457 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.524 -4.103 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.732 -4.075 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.609 -5.442 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.548 -3.999 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.540 -1.970 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.344 -1.826 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.568 -1.771 1.179 1.00 0.00 H new ATOM 239 N ASP A 15 -2.087 -4.499 3.255 1.00 0.00 N ATOM 240 CA ASP A 15 -0.849 -4.066 3.898 1.00 0.00 C ATOM 241 C ASP A 15 0.122 -3.576 2.834 1.00 0.00 C ATOM 242 O ASP A 15 0.098 -4.018 1.687 1.00 0.00 O ATOM 243 CB ASP A 15 -0.256 -5.242 4.670 1.00 0.00 C ATOM 244 CG ASP A 15 -1.232 -5.729 5.729 1.00 0.00 C ATOM 245 OD1 ASP A 15 -1.251 -5.156 6.839 1.00 0.00 O ATOM 246 OD2 ASP A 15 -1.986 -6.689 5.456 1.00 0.00 O ATOM 0 H ASP A 15 -2.139 -5.489 3.014 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.045 -3.250 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.021 -6.054 3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.680 -4.941 5.140 1.00 0.00 H new ATOM 251 N ILE A 16 0.989 -2.651 3.205 1.00 0.00 N ATOM 252 CA ILE A 16 1.928 -2.121 2.218 1.00 0.00 C ATOM 253 C ILE A 16 3.085 -3.096 2.043 1.00 0.00 C ATOM 254 O ILE A 16 3.770 -3.105 1.021 1.00 0.00 O ATOM 255 CB ILE A 16 2.457 -0.770 2.707 1.00 0.00 C ATOM 256 CG1 ILE A 16 1.323 0.216 3.006 1.00 0.00 C ATOM 257 CG2 ILE A 16 3.421 -0.173 1.680 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.488 0.570 1.775 1.00 0.00 C ATOM 0 H ILE A 16 1.068 -2.260 4.144 1.00 0.00 H new ATOM 0 HA ILE A 16 1.424 -1.990 1.260 1.00 0.00 H new ATOM 0 HB ILE A 16 2.991 -0.948 3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.671 -0.211 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.746 1.129 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.789 0.787 2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.261 -0.851 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.901 -0.029 0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.297 1.272 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.128 1.026 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.037 -0.335 1.369 1.00 0.00 H new ATOM 270 N SER A 17 3.325 -3.922 3.046 1.00 0.00 N ATOM 271 CA SER A 17 4.489 -4.802 2.971 1.00 0.00 C ATOM 272 C SER A 17 4.130 -6.122 2.302 1.00 0.00 C ATOM 273 O SER A 17 4.957 -7.027 2.191 1.00 0.00 O ATOM 274 CB SER A 17 5.001 -5.062 4.384 1.00 0.00 C ATOM 275 OG SER A 17 5.345 -3.831 5.003 1.00 0.00 O ATOM 0 H SER A 17 2.759 -4.006 3.891 1.00 0.00 H new ATOM 0 HA SER A 17 5.262 -4.319 2.373 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.237 -5.573 4.970 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.870 -5.719 4.351 1.00 0.00 H new ATOM 0 HG SER A 17 5.672 -4.002 5.911 1.00 0.00 H new ATOM 281 N LYS A 18 2.896 -6.250 1.846 1.00 0.00 N ATOM 282 CA LYS A 18 2.514 -7.494 1.181 1.00 0.00 C ATOM 283 C LYS A 18 2.239 -7.218 -0.288 1.00 0.00 C ATOM 284 O LYS A 18 1.625 -8.023 -0.988 1.00 0.00 O ATOM 285 CB LYS A 18 1.257 -8.060 1.835 1.00 0.00 C ATOM 286 CG LYS A 18 1.515 -8.420 3.296 1.00 0.00 C ATOM 287 CD LYS A 18 0.252 -9.005 3.921 1.00 0.00 C ATOM 288 CE LYS A 18 0.498 -9.368 5.382 1.00 0.00 C ATOM 289 NZ LYS A 18 -0.727 -9.931 5.968 1.00 0.00 N ATOM 0 H LYS A 18 2.164 -5.543 1.916 1.00 0.00 H new ATOM 0 HA LYS A 18 3.325 -8.216 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.450 -7.329 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.927 -8.945 1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.331 -9.140 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.826 -7.533 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.563 -8.284 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.058 -9.891 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.312 -10.089 5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.805 -8.483 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.554 -10.177 6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.493 -9.229 5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.002 -10.786 5.443 1.00 0.00 H new ATOM 303 N ILE A 19 2.681 -6.069 -0.768 1.00 0.00 N ATOM 304 CA ILE A 19 2.407 -5.734 -2.163 1.00 0.00 C ATOM 305 C ILE A 19 3.733 -5.536 -2.885 1.00 0.00 C ATOM 306 O ILE A 19 4.493 -4.615 -2.592 1.00 0.00 O ATOM 307 CB ILE A 19 1.580 -4.450 -2.233 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.351 -4.566 -1.328 1.00 0.00 C ATOM 309 CG2 ILE A 19 1.152 -4.218 -3.681 1.00 0.00 C ATOM 310 CD1 ILE A 19 -0.503 -3.298 -1.338 1.00 0.00 C ATOM 0 H ILE A 19 3.210 -5.374 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 19 1.844 -6.539 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 19 2.179 -3.606 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.256 -5.412 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.673 -4.776 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.561 -3.304 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.036 -4.122 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.553 -5.062 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.362 -3.433 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.093 -2.455 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.850 -3.101 -2.352 1.00 0.00 H new ATOM 322 N LYS A 20 4.027 -6.397 -3.842 1.00 0.00 N ATOM 323 CA LYS A 20 5.283 -6.232 -4.571 1.00 0.00 C ATOM 324 C LYS A 20 5.105 -5.092 -5.562 1.00 0.00 C ATOM 325 O LYS A 20 5.565 -3.971 -5.349 1.00 0.00 O ATOM 326 CB LYS A 20 5.651 -7.510 -5.328 1.00 0.00 C ATOM 327 CG LYS A 20 6.274 -8.586 -4.435 1.00 0.00 C ATOM 328 CD LYS A 20 5.267 -9.228 -3.481 1.00 0.00 C ATOM 329 CE LYS A 20 5.905 -10.397 -2.734 1.00 0.00 C ATOM 330 NZ LYS A 20 7.038 -9.921 -1.926 1.00 0.00 N ATOM 0 H LYS A 20 3.447 -7.186 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 20 6.085 -6.016 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.756 -7.914 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.350 -7.262 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.716 -9.360 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.085 -8.144 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.909 -8.486 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.399 -9.577 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.166 -10.876 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.246 -11.150 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.326 -10.665 -1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.836 -9.688 -2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.754 -9.072 -1.396 1.00 0.00 H new ATOM 344 N LYS A 21 4.418 -5.380 -6.653 1.00 0.00 N ATOM 345 CA LYS A 21 4.123 -4.324 -7.620 1.00 0.00 C ATOM 346 C LYS A 21 2.627 -4.053 -7.533 1.00 0.00 C ATOM 347 O LYS A 21 1.867 -5.017 -7.448 1.00 0.00 O ATOM 348 CB LYS A 21 4.493 -4.832 -9.012 1.00 0.00 C ATOM 349 CG LYS A 21 6.003 -5.042 -9.122 1.00 0.00 C ATOM 350 CD LYS A 21 6.411 -5.462 -10.535 1.00 0.00 C ATOM 351 CE LYS A 21 5.870 -6.845 -10.890 1.00 0.00 C ATOM 352 NZ LYS A 21 6.351 -7.236 -12.223 1.00 0.00 N ATOM 0 H LYS A 21 4.061 -6.305 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 21 4.683 -3.411 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.974 -5.769 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.164 -4.117 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.520 -4.121 -8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.318 -5.805 -8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.041 -4.731 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.498 -5.465 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.193 -7.575 -10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.780 -6.835 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.981 -8.178 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.022 -6.545 -12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.391 -7.262 -12.223 1.00 0.00 H new ATOM 366 N VAL A 22 2.095 -2.829 -7.509 1.00 0.00 N ATOM 367 CA VAL A 22 2.843 -1.575 -7.714 1.00 0.00 C ATOM 368 C VAL A 22 3.606 -1.503 -9.033 1.00 0.00 C ATOM 369 O VAL A 22 4.746 -1.941 -9.184 1.00 0.00 O ATOM 370 CB VAL A 22 3.606 -1.049 -6.483 1.00 0.00 C ATOM 371 CG1 VAL A 22 3.218 -1.805 -5.215 1.00 0.00 C ATOM 372 CG2 VAL A 22 5.128 -1.044 -6.636 1.00 0.00 C ATOM 0 H VAL A 22 1.101 -2.672 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 22 2.056 -0.830 -7.832 1.00 0.00 H new ATOM 0 HB VAL A 22 3.299 -0.007 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.776 -1.406 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.150 -1.687 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.450 -2.863 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.584 -0.659 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.479 -2.060 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.407 -0.409 -7.477 1.00 0.00 H new ATOM 382 N TRP A 23 2.955 -0.891 -10.008 1.00 0.00 N ATOM 383 CA TRP A 23 3.651 -0.590 -11.256 1.00 0.00 C ATOM 384 C TRP A 23 2.829 0.451 -12.002 1.00 0.00 C ATOM 385 O TRP A 23 1.609 0.349 -12.117 1.00 0.00 O ATOM 386 CB TRP A 23 3.858 -1.852 -12.091 1.00 0.00 C ATOM 387 CG TRP A 23 2.584 -2.346 -12.739 1.00 0.00 C ATOM 388 CD1 TRP A 23 2.214 -2.154 -14.070 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.624 -3.163 -12.198 1.00 0.00 C ATOM 390 NE1 TRP A 23 1.028 -2.842 -14.353 1.00 0.00 N ATOM 391 CE2 TRP A 23 0.714 -3.459 -13.153 1.00 0.00 C ATOM 392 CE3 TRP A 23 1.541 -3.664 -10.971 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.299 -4.283 -12.900 1.00 0.00 C ATOM 394 CZ3 TRP A 23 0.517 -4.496 -10.708 1.00 0.00 C ATOM 395 CH2 TRP A 23 -0.387 -4.805 -11.663 1.00 0.00 C ATOM 0 H TRP A 23 1.978 -0.599 -9.969 1.00 0.00 H new ATOM 0 HA TRP A 23 4.646 -0.197 -11.050 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.599 -1.652 -12.865 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.265 -2.639 -11.456 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.765 -1.558 -14.782 1.00 0.00 H new ATOM 0 HE1 TRP A 23 0.516 -2.880 -15.234 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.268 -3.413 -10.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.026 -4.525 -13.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 0.416 -4.922 -9.721 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.195 -5.483 -11.430 1.00 0.00 H new ATOM 406 N ARG A 24 3.485 1.497 -12.473 1.00 0.00 N ATOM 407 CA ARG A 24 2.720 2.614 -13.023 1.00 0.00 C ATOM 408 C ARG A 24 2.454 2.379 -14.501 1.00 0.00 C ATOM 409 O ARG A 24 3.347 2.041 -15.277 1.00 0.00 O ATOM 410 CB ARG A 24 3.486 3.928 -12.856 1.00 0.00 C ATOM 411 CG ARG A 24 3.368 4.518 -11.448 1.00 0.00 C ATOM 412 CD ARG A 24 4.121 3.716 -10.387 1.00 0.00 C ATOM 413 NE ARG A 24 5.536 3.627 -10.737 1.00 0.00 N ATOM 414 CZ ARG A 24 6.353 2.972 -9.933 1.00 0.00 C ATOM 415 NH1 ARG A 24 5.889 2.408 -8.833 1.00 0.00 N ATOM 416 NH2 ARG A 24 7.636 2.881 -10.228 1.00 0.00 N ATOM 0 H ARG A 24 4.499 1.602 -12.490 1.00 0.00 H new ATOM 0 HA ARG A 24 1.776 2.681 -12.482 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.538 3.760 -13.086 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.114 4.653 -13.580 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.748 5.540 -11.458 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.315 4.572 -11.172 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.008 4.191 -9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.695 2.716 -10.305 1.00 0.00 H new ATOM 0 HE ARG A 24 5.887 4.064 -11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.898 2.478 -8.603 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.522 1.902 -8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.996 3.317 -11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.267 2.375 -9.607 1.00 0.00 H new ATOM 430 N VAL A 25 1.211 2.591 -14.900 1.00 0.00 N ATOM 431 CA VAL A 25 0.891 2.507 -16.323 1.00 0.00 C ATOM 432 C VAL A 25 0.240 3.817 -16.734 1.00 0.00 C ATOM 433 O VAL A 25 0.179 4.184 -17.906 1.00 0.00 O ATOM 434 CB VAL A 25 -0.056 1.335 -16.585 1.00 0.00 C ATOM 435 CG1 VAL A 25 -0.326 1.205 -18.081 1.00 0.00 C ATOM 436 CG2 VAL A 25 0.556 0.035 -16.076 1.00 0.00 C ATOM 0 H VAL A 25 0.428 2.815 -14.286 1.00 0.00 H new ATOM 0 HA VAL A 25 1.797 2.339 -16.905 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.991 1.525 -16.058 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.001 0.368 -18.257 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.783 2.124 -18.449 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.613 1.031 -18.606 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.129 -0.790 -16.269 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.499 -0.149 -16.590 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.736 0.113 -15.004 1.00 0.00 H new ATOM 446 N GLY A 26 -0.258 4.535 -15.748 1.00 0.00 N ATOM 447 CA GLY A 26 -0.912 5.803 -16.058 1.00 0.00 C ATOM 448 C GLY A 26 -1.203 6.570 -14.777 1.00 0.00 C ATOM 449 O GLY A 26 -0.335 6.757 -13.925 1.00 0.00 O ATOM 0 H GLY A 26 -0.229 4.282 -14.760 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.275 6.399 -16.711 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.840 5.619 -16.599 1.00 0.00 H new ATOM 453 N LYS A 27 -2.434 7.030 -14.638 1.00 0.00 N ATOM 454 CA LYS A 27 -2.750 7.843 -13.466 1.00 0.00 C ATOM 455 C LYS A 27 -3.243 6.967 -12.320 1.00 0.00 C ATOM 456 O LYS A 27 -3.009 7.265 -11.150 1.00 0.00 O ATOM 457 CB LYS A 27 -3.785 8.907 -13.837 1.00 0.00 C ATOM 458 CG LYS A 27 -5.066 8.292 -14.396 1.00 0.00 C ATOM 459 CD LYS A 27 -6.123 9.367 -14.620 1.00 0.00 C ATOM 460 CE LYS A 27 -7.456 8.734 -15.012 1.00 0.00 C ATOM 461 NZ LYS A 27 -8.481 9.779 -15.145 1.00 0.00 N ATOM 0 H LYS A 27 -3.204 6.868 -15.287 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.844 8.347 -13.128 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.024 9.503 -12.956 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.358 9.586 -14.575 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.852 7.783 -15.336 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.446 7.539 -13.706 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.247 9.958 -13.712 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.794 10.051 -15.403 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.350 8.193 -15.952 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.760 8.007 -14.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.387 9.344 -15.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.589 10.276 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.193 10.457 -15.879 1.00 0.00 H new ATOM 475 N MET A 28 -3.918 5.871 -12.631 1.00 0.00 N ATOM 476 CA MET A 28 -4.378 5.001 -11.549 1.00 0.00 C ATOM 477 C MET A 28 -3.273 4.007 -11.231 1.00 0.00 C ATOM 478 O MET A 28 -2.672 3.400 -12.116 1.00 0.00 O ATOM 479 CB MET A 28 -5.645 4.250 -11.954 1.00 0.00 C ATOM 480 CG MET A 28 -6.800 5.204 -12.256 1.00 0.00 C ATOM 481 SD MET A 28 -8.292 4.237 -12.542 1.00 0.00 S ATOM 482 CE MET A 28 -9.437 5.565 -12.949 1.00 0.00 C ATOM 0 H MET A 28 -4.154 5.568 -13.576 1.00 0.00 H new ATOM 0 HA MET A 28 -4.611 5.607 -10.674 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.440 3.639 -12.833 1.00 0.00 H new ATOM 0 HB3 MET A 28 -5.936 3.570 -11.153 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.950 5.891 -11.423 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.570 5.810 -13.132 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.421 5.146 -13.157 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.507 6.255 -12.108 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.077 6.099 -13.828 1.00 0.00 H new ATOM 492 N ILE A 29 -2.994 3.835 -9.953 1.00 0.00 N ATOM 493 CA ILE A 29 -1.927 2.907 -9.589 1.00 0.00 C ATOM 494 C ILE A 29 -2.515 1.512 -9.465 1.00 0.00 C ATOM 495 O ILE A 29 -3.402 1.254 -8.653 1.00 0.00 O ATOM 496 CB ILE A 29 -1.297 3.341 -8.265 1.00 0.00 C ATOM 497 CG1 ILE A 29 -0.810 4.794 -8.327 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.140 2.409 -7.910 1.00 0.00 C ATOM 499 CD1 ILE A 29 0.205 5.039 -9.443 1.00 0.00 C ATOM 0 H ILE A 29 -3.464 4.300 -9.176 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.152 2.906 -10.356 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.060 3.280 -7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.667 5.452 -8.472 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.361 5.062 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.304 2.724 -6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.511 1.389 -7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.614 2.449 -8.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.510 6.085 -9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.078 4.405 -9.287 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.248 4.802 -10.406 1.00 0.00 H new ATOM 511 N SER A 30 -2.015 0.598 -10.276 1.00 0.00 N ATOM 512 CA SER A 30 -2.504 -0.774 -10.179 1.00 0.00 C ATOM 513 C SER A 30 -1.631 -1.527 -9.190 1.00 0.00 C ATOM 514 O SER A 30 -0.466 -1.197 -8.976 1.00 0.00 O ATOM 515 CB SER A 30 -2.438 -1.430 -11.556 1.00 0.00 C ATOM 516 OG SER A 30 -2.898 -2.770 -11.476 1.00 0.00 O ATOM 0 H SER A 30 -1.299 0.764 -10.984 1.00 0.00 H new ATOM 0 HA SER A 30 -3.538 -0.790 -9.835 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.047 -0.869 -12.265 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.414 -1.410 -11.929 1.00 0.00 H new ATOM 0 HG SER A 30 -2.156 -3.382 -11.661 1.00 0.00 H new ATOM 522 N PHE A 31 -2.184 -2.551 -8.567 1.00 0.00 N ATOM 523 CA PHE A 31 -1.370 -3.301 -7.615 1.00 0.00 C ATOM 524 C PHE A 31 -2.004 -4.656 -7.358 1.00 0.00 C ATOM 525 O PHE A 31 -3.220 -4.826 -7.413 1.00 0.00 O ATOM 526 CB PHE A 31 -1.220 -2.512 -6.314 1.00 0.00 C ATOM 527 CG PHE A 31 -2.533 -2.372 -5.573 1.00 0.00 C ATOM 528 CD1 PHE A 31 -3.406 -1.412 -5.910 1.00 0.00 C ATOM 529 CD2 PHE A 31 -2.808 -3.192 -4.548 1.00 0.00 C ATOM 530 CE1 PHE A 31 -4.556 -1.282 -5.234 1.00 0.00 C ATOM 531 CE2 PHE A 31 -3.956 -3.061 -3.871 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.833 -2.107 -4.215 1.00 0.00 C ATOM 0 H PHE A 31 -3.143 -2.875 -8.689 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.375 -3.456 -8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.494 -3.010 -5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.823 -1.521 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.182 -0.742 -6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.102 -3.960 -4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.260 -0.511 -5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.176 -3.724 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.761 -2.004 -3.672 1.00 0.00 H new ATOM 542 N THR A 32 -1.166 -5.637 -7.075 1.00 0.00 N ATOM 543 CA THR A 32 -1.698 -6.972 -6.816 1.00 0.00 C ATOM 544 C THR A 32 -1.228 -7.442 -5.449 1.00 0.00 C ATOM 545 O THR A 32 -0.080 -7.842 -5.263 1.00 0.00 O ATOM 546 CB THR A 32 -1.208 -7.938 -7.891 1.00 0.00 C ATOM 547 OG1 THR A 32 0.213 -7.941 -7.904 1.00 0.00 O ATOM 548 CG2 THR A 32 -1.724 -7.518 -9.264 1.00 0.00 C ATOM 0 H THR A 32 -0.152 -5.547 -7.019 1.00 0.00 H new ATOM 0 HA THR A 32 -2.787 -6.941 -6.835 1.00 0.00 H new ATOM 0 HB THR A 32 -1.583 -8.936 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.549 -7.906 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.364 -8.218 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.814 -7.518 -9.259 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.363 -6.517 -9.498 1.00 0.00 H new ATOM 556 N TYR A 33 -2.124 -7.407 -4.479 1.00 0.00 N ATOM 557 CA TYR A 33 -1.749 -7.892 -3.153 1.00 0.00 C ATOM 558 C TYR A 33 -2.048 -9.380 -3.081 1.00 0.00 C ATOM 559 O TYR A 33 -2.813 -9.922 -3.879 1.00 0.00 O ATOM 560 CB TYR A 33 -2.522 -7.122 -2.082 1.00 0.00 C ATOM 561 CG TYR A 33 -4.016 -7.323 -2.212 1.00 0.00 C ATOM 562 CD1 TYR A 33 -4.722 -6.588 -3.083 1.00 0.00 C ATOM 563 CD2 TYR A 33 -4.640 -8.220 -1.437 1.00 0.00 C ATOM 564 CE1 TYR A 33 -6.045 -6.760 -3.191 1.00 0.00 C ATOM 565 CE2 TYR A 33 -5.966 -8.388 -1.541 1.00 0.00 C ATOM 566 CZ TYR A 33 -6.669 -7.661 -2.418 1.00 0.00 C ATOM 567 OH TYR A 33 -8.023 -7.834 -2.524 1.00 0.00 O ATOM 0 H TYR A 33 -3.080 -7.064 -4.571 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.685 -7.733 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.196 -7.448 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.290 -6.060 -2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.222 -5.855 -3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.075 -8.808 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.610 -6.173 -3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.468 -9.111 -0.916 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.315 -8.525 -1.894 1.00 0.00 H new ATOM 577 N ASP A 34 -1.433 -10.065 -2.134 1.00 0.00 N ATOM 578 CA ASP A 34 -1.611 -11.514 -2.089 1.00 0.00 C ATOM 579 C ASP A 34 -2.724 -11.879 -1.123 1.00 0.00 C ATOM 580 O ASP A 34 -2.680 -11.580 0.070 1.00 0.00 O ATOM 581 CB ASP A 34 -0.303 -12.166 -1.651 1.00 0.00 C ATOM 582 CG ASP A 34 -0.445 -13.679 -1.613 1.00 0.00 C ATOM 583 OD1 ASP A 34 -0.512 -14.306 -2.693 1.00 0.00 O ATOM 584 OD2 ASP A 34 -0.493 -14.252 -0.503 1.00 0.00 O ATOM 0 H ASP A 34 -0.830 -9.669 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.884 -11.874 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.496 -11.888 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.019 -11.797 -0.665 1.00 0.00 H new ATOM 589 N GLU A 35 -3.737 -12.551 -1.640 1.00 0.00 N ATOM 590 CA GLU A 35 -4.829 -12.974 -0.770 1.00 0.00 C ATOM 591 C GLU A 35 -5.670 -13.998 -1.513 1.00 0.00 C ATOM 592 O GLU A 35 -6.687 -13.676 -2.127 1.00 0.00 O ATOM 593 CB GLU A 35 -5.675 -11.759 -0.399 1.00 0.00 C ATOM 594 CG GLU A 35 -6.816 -12.160 0.532 1.00 0.00 C ATOM 595 CD GLU A 35 -7.615 -10.939 0.957 1.00 0.00 C ATOM 596 OE1 GLU A 35 -7.107 -9.936 1.455 1.00 0.00 O ATOM 597 OE2 GLU A 35 -8.954 -11.096 0.715 1.00 0.00 O ATOM 0 H GLU A 35 -3.831 -12.810 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.439 -13.421 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.050 -11.009 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.079 -11.302 -1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.470 -12.872 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.415 -12.663 1.412 1.00 0.00 H new ATOM 605 N GLY A 36 -5.255 -15.250 -1.473 1.00 0.00 N ATOM 606 CA GLY A 36 -6.034 -16.262 -2.180 1.00 0.00 C ATOM 607 C GLY A 36 -5.307 -17.597 -2.188 1.00 0.00 C ATOM 608 O GLY A 36 -5.895 -18.652 -1.963 1.00 0.00 O ATOM 0 H GLY A 36 -4.425 -15.586 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.008 -16.376 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.217 -15.937 -3.204 1.00 0.00 H new ATOM 612 N GLY A 37 -4.019 -17.569 -2.477 1.00 0.00 N ATOM 613 CA GLY A 37 -3.311 -18.838 -2.622 1.00 0.00 C ATOM 614 C GLY A 37 -3.833 -19.541 -3.864 1.00 0.00 C ATOM 615 O GLY A 37 -4.144 -20.731 -3.859 1.00 0.00 O ATOM 0 H GLY A 37 -3.459 -16.727 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.238 -18.666 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.465 -19.461 -1.741 1.00 0.00 H new ATOM 619 N GLY A 38 -3.959 -18.784 -4.939 1.00 0.00 N ATOM 620 CA GLY A 38 -4.558 -19.348 -6.145 1.00 0.00 C ATOM 621 C GLY A 38 -5.484 -18.310 -6.756 1.00 0.00 C ATOM 622 O GLY A 38 -5.682 -18.247 -7.969 1.00 0.00 O ATOM 0 H GLY A 38 -3.667 -17.809 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.782 -19.629 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.113 -20.255 -5.904 1.00 0.00 H new ATOM 626 N LYS A 39 -6.054 -17.476 -5.901 1.00 0.00 N ATOM 627 CA LYS A 39 -6.911 -16.408 -6.406 1.00 0.00 C ATOM 628 C LYS A 39 -6.369 -15.079 -5.905 1.00 0.00 C ATOM 629 O LYS A 39 -6.906 -14.464 -4.984 1.00 0.00 O ATOM 630 CB LYS A 39 -8.336 -16.615 -5.898 1.00 0.00 C ATOM 631 CG LYS A 39 -8.903 -17.949 -6.377 1.00 0.00 C ATOM 632 CD LYS A 39 -10.327 -18.134 -5.858 1.00 0.00 C ATOM 633 CE LYS A 39 -10.872 -19.502 -6.255 1.00 0.00 C ATOM 634 NZ LYS A 39 -10.915 -19.619 -7.720 1.00 0.00 N ATOM 0 H LYS A 39 -5.947 -17.511 -4.887 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.922 -16.415 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.345 -16.583 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.971 -15.801 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.898 -17.984 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.272 -18.767 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.340 -18.033 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.970 -17.351 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.243 -20.288 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.871 -19.639 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.524 -20.418 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.297 -18.742 -8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.954 -19.780 -8.084 1.00 0.00 H new ATOM 648 N THR A 40 -5.282 -14.628 -6.505 1.00 0.00 N ATOM 649 CA THR A 40 -4.686 -13.373 -6.052 1.00 0.00 C ATOM 650 C THR A 40 -5.650 -12.229 -6.322 1.00 0.00 C ATOM 651 O THR A 40 -6.238 -12.119 -7.398 1.00 0.00 O ATOM 652 CB THR A 40 -3.375 -13.162 -6.807 1.00 0.00 C ATOM 653 OG1 THR A 40 -2.528 -14.278 -6.584 1.00 0.00 O ATOM 654 CG2 THR A 40 -2.666 -11.898 -6.332 1.00 0.00 C ATOM 0 H THR A 40 -4.804 -15.088 -7.280 1.00 0.00 H new ATOM 0 HA THR A 40 -4.486 -13.408 -4.981 1.00 0.00 H new ATOM 0 HB THR A 40 -3.599 -13.056 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.685 -14.151 -7.067 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.736 -11.772 -6.886 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.309 -11.034 -6.502 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.446 -11.982 -5.268 1.00 0.00 H new ATOM 662 N GLY A 41 -5.825 -11.359 -5.343 1.00 0.00 N ATOM 663 CA GLY A 41 -6.739 -10.240 -5.554 1.00 0.00 C ATOM 664 C GLY A 41 -6.068 -9.169 -6.400 1.00 0.00 C ATOM 665 O GLY A 41 -4.845 -9.060 -6.457 1.00 0.00 O ATOM 0 H GLY A 41 -5.371 -11.396 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.646 -10.589 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.040 -9.820 -4.594 1.00 0.00 H new ATOM 669 N ARG A 42 -6.873 -8.364 -7.071 1.00 0.00 N ATOM 670 CA ARG A 42 -6.290 -7.326 -7.917 1.00 0.00 C ATOM 671 C ARG A 42 -7.241 -6.142 -7.978 1.00 0.00 C ATOM 672 O ARG A 42 -8.459 -6.291 -8.055 1.00 0.00 O ATOM 673 CB ARG A 42 -6.066 -7.881 -9.324 1.00 0.00 C ATOM 674 CG ARG A 42 -5.118 -9.079 -9.304 1.00 0.00 C ATOM 675 CD ARG A 42 -4.855 -9.580 -10.722 1.00 0.00 C ATOM 676 NE ARG A 42 -6.103 -10.037 -11.329 1.00 0.00 N ATOM 677 CZ ARG A 42 -6.079 -10.510 -12.562 1.00 0.00 C ATOM 678 NH1 ARG A 42 -4.942 -10.566 -13.229 1.00 0.00 N ATOM 679 NH2 ARG A 42 -7.196 -10.927 -13.129 1.00 0.00 N ATOM 0 H ARG A 42 -7.892 -8.400 -7.054 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.334 -7.005 -7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.021 -8.178 -9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.655 -7.100 -9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.177 -8.797 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.549 -9.880 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.419 -8.782 -11.323 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.131 -10.395 -10.700 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.979 -9.991 -10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.078 -10.244 -12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.927 -10.932 -14.181 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.076 -10.884 -12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.179 -11.293 -14.081 1.00 0.00 H new ATOM 693 N GLY A 43 -6.691 -4.941 -7.945 1.00 0.00 N ATOM 694 CA GLY A 43 -7.560 -3.769 -8.002 1.00 0.00 C ATOM 695 C GLY A 43 -6.754 -2.543 -8.401 1.00 0.00 C ATOM 696 O GLY A 43 -5.687 -2.638 -9.005 1.00 0.00 O ATOM 0 H GLY A 43 -5.691 -4.750 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.363 -3.936 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.029 -3.606 -7.032 1.00 0.00 H new ATOM 700 N ALA A 44 -7.260 -1.371 -8.065 1.00 0.00 N ATOM 701 CA ALA A 44 -6.518 -0.163 -8.417 1.00 0.00 C ATOM 702 C ALA A 44 -7.016 0.998 -7.573 1.00 0.00 C ATOM 703 O ALA A 44 -7.982 0.889 -6.820 1.00 0.00 O ATOM 704 CB ALA A 44 -6.718 0.142 -9.899 1.00 0.00 C ATOM 0 H ALA A 44 -8.141 -1.225 -7.571 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.456 -0.314 -8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.165 1.043 -10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.354 -0.695 -10.495 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.778 0.296 -10.099 1.00 0.00 H new ATOM 710 N VAL A 45 -6.351 2.132 -7.697 1.00 0.00 N ATOM 711 CA VAL A 45 -6.782 3.293 -6.925 1.00 0.00 C ATOM 712 C VAL A 45 -6.288 4.547 -7.632 1.00 0.00 C ATOM 713 O VAL A 45 -5.148 4.628 -8.086 1.00 0.00 O ATOM 714 CB VAL A 45 -6.239 3.186 -5.498 1.00 0.00 C ATOM 715 CG1 VAL A 45 -4.712 3.139 -5.497 1.00 0.00 C ATOM 716 CG2 VAL A 45 -6.714 4.373 -4.662 1.00 0.00 C ATOM 0 H VAL A 45 -5.541 2.278 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.869 3.339 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.617 2.261 -5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.351 3.063 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.374 2.273 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.320 4.048 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.321 4.285 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.357 5.300 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.803 4.382 -4.629 1.00 0.00 H new ATOM 726 N SER A 46 -7.157 5.534 -7.756 1.00 0.00 N ATOM 727 CA SER A 46 -6.754 6.737 -8.477 1.00 0.00 C ATOM 728 C SER A 46 -5.681 7.473 -7.692 1.00 0.00 C ATOM 729 O SER A 46 -5.642 7.450 -6.463 1.00 0.00 O ATOM 730 CB SER A 46 -7.973 7.636 -8.665 1.00 0.00 C ATOM 731 OG SER A 46 -8.493 8.008 -7.397 1.00 0.00 O ATOM 0 H SER A 46 -8.108 5.535 -7.386 1.00 0.00 H new ATOM 0 HA SER A 46 -6.349 6.464 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.697 8.526 -9.231 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.736 7.115 -9.243 1.00 0.00 H new ATOM 0 HG SER A 46 -9.274 8.586 -7.521 1.00 0.00 H new ATOM 737 N GLU A 47 -4.795 8.142 -8.408 1.00 0.00 N ATOM 738 CA GLU A 47 -3.721 8.858 -7.722 1.00 0.00 C ATOM 739 C GLU A 47 -4.224 10.223 -7.272 1.00 0.00 C ATOM 740 O GLU A 47 -3.621 10.889 -6.432 1.00 0.00 O ATOM 741 CB GLU A 47 -2.547 9.005 -8.688 1.00 0.00 C ATOM 742 CG GLU A 47 -1.348 9.665 -8.012 1.00 0.00 C ATOM 743 CD GLU A 47 -0.176 9.751 -8.976 1.00 0.00 C ATOM 744 OE1 GLU A 47 -0.072 10.759 -9.708 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.648 8.811 -9.008 1.00 0.00 O ATOM 0 H GLU A 47 -4.789 8.208 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.396 8.307 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.259 8.024 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.854 9.600 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.620 10.664 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.060 9.093 -7.130 1.00 0.00 H new ATOM 752 N LYS A 48 -5.345 10.653 -7.823 1.00 0.00 N ATOM 753 CA LYS A 48 -5.865 11.963 -7.435 1.00 0.00 C ATOM 754 C LYS A 48 -6.340 11.924 -5.989 1.00 0.00 C ATOM 755 O LYS A 48 -6.272 12.916 -5.266 1.00 0.00 O ATOM 756 CB LYS A 48 -7.017 12.337 -8.366 1.00 0.00 C ATOM 757 CG LYS A 48 -7.583 13.711 -8.016 1.00 0.00 C ATOM 758 CD LYS A 48 -6.494 14.777 -8.114 1.00 0.00 C ATOM 759 CE LYS A 48 -7.042 16.150 -7.731 1.00 0.00 C ATOM 760 NZ LYS A 48 -8.115 16.543 -8.656 1.00 0.00 N ATOM 0 H LYS A 48 -5.898 10.144 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.078 12.713 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.669 12.336 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.805 11.587 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.403 13.956 -8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.995 13.695 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.664 14.516 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.100 14.808 -9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.422 16.126 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.241 16.889 -7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.282 17.567 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.836 16.310 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.987 16.030 -8.414 1.00 0.00 H new ATOM 774 N ASP A 49 -6.827 10.775 -5.553 1.00 0.00 N ATOM 775 CA ASP A 49 -7.290 10.682 -4.171 1.00 0.00 C ATOM 776 C ASP A 49 -6.645 9.479 -3.504 1.00 0.00 C ATOM 777 O ASP A 49 -7.312 8.518 -3.124 1.00 0.00 O ATOM 778 CB ASP A 49 -8.809 10.534 -4.159 1.00 0.00 C ATOM 779 CG ASP A 49 -9.469 11.734 -4.818 1.00 0.00 C ATOM 780 OD1 ASP A 49 -9.735 12.735 -4.117 1.00 0.00 O ATOM 781 OD2 ASP A 49 -9.728 11.683 -6.039 1.00 0.00 O ATOM 0 H ASP A 49 -6.913 9.922 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.013 11.584 -3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.095 9.622 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.162 10.436 -3.132 1.00 0.00 H new ATOM 786 N ALA A 50 -5.333 9.525 -3.355 1.00 0.00 N ATOM 787 CA ALA A 50 -4.655 8.403 -2.709 1.00 0.00 C ATOM 788 C ALA A 50 -3.936 8.916 -1.466 1.00 0.00 C ATOM 789 O ALA A 50 -3.521 10.073 -1.423 1.00 0.00 O ATOM 790 CB ALA A 50 -3.644 7.810 -3.687 1.00 0.00 C ATOM 0 H ALA A 50 -4.731 10.291 -3.657 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.374 7.635 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.131 6.971 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.163 7.463 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.915 8.572 -3.964 1.00 0.00 H new ATOM 796 N PRO A 51 -3.757 8.094 -0.439 1.00 0.00 N ATOM 797 CA PRO A 51 -3.046 8.518 0.763 1.00 0.00 C ATOM 798 C PRO A 51 -1.678 9.092 0.429 1.00 0.00 C ATOM 799 O PRO A 51 -0.989 8.636 -0.482 1.00 0.00 O ATOM 800 CB PRO A 51 -2.933 7.203 1.534 1.00 0.00 C ATOM 801 CG PRO A 51 -4.124 6.370 1.061 1.00 0.00 C ATOM 802 CD PRO A 51 -4.274 6.728 -0.415 1.00 0.00 C ATOM 0 HA PRO A 51 -3.546 9.313 1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.989 6.700 1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.970 7.371 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.942 5.304 1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.026 6.612 1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.700 6.061 -1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.311 6.676 -0.746 1.00 0.00 H new ATOM 810 N LYS A 52 -1.273 10.116 1.159 1.00 0.00 N ATOM 811 CA LYS A 52 -0.008 10.765 0.821 1.00 0.00 C ATOM 812 C LYS A 52 1.161 9.978 1.395 1.00 0.00 C ATOM 813 O LYS A 52 2.300 10.100 0.949 1.00 0.00 O ATOM 814 CB LYS A 52 -0.010 12.184 1.384 1.00 0.00 C ATOM 815 CG LYS A 52 1.309 12.888 1.070 1.00 0.00 C ATOM 816 CD LYS A 52 1.351 14.297 1.663 1.00 0.00 C ATOM 817 CE LYS A 52 0.333 15.221 0.997 1.00 0.00 C ATOM 818 NZ LYS A 52 0.467 16.578 1.545 1.00 0.00 N ATOM 0 H LYS A 52 -1.773 10.507 1.958 1.00 0.00 H new ATOM 0 HA LYS A 52 0.101 10.800 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.840 12.749 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.164 12.153 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.138 12.301 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.444 12.943 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.152 14.247 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.352 14.712 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.491 15.236 -0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.677 14.848 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.227 17.206 1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.295 16.557 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.427 16.933 1.362 1.00 0.00 H new ATOM 832 N GLU A 53 0.895 9.153 2.392 1.00 0.00 N ATOM 833 CA GLU A 53 1.993 8.397 2.992 1.00 0.00 C ATOM 834 C GLU A 53 2.442 7.282 2.056 1.00 0.00 C ATOM 835 O GLU A 53 3.545 6.750 2.174 1.00 0.00 O ATOM 836 CB GLU A 53 1.548 7.831 4.340 1.00 0.00 C ATOM 837 CG GLU A 53 0.342 6.905 4.198 1.00 0.00 C ATOM 838 CD GLU A 53 -0.070 6.360 5.557 1.00 0.00 C ATOM 839 OE1 GLU A 53 -0.824 7.047 6.277 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.359 5.240 5.910 1.00 0.00 O ATOM 0 H GLU A 53 -0.028 8.989 2.794 1.00 0.00 H new ATOM 0 HA GLU A 53 2.842 9.061 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.374 7.284 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.299 8.651 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.490 7.447 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.585 6.081 3.527 1.00 0.00 H new ATOM 847 N LEU A 54 1.593 6.917 1.112 1.00 0.00 N ATOM 848 CA LEU A 54 1.970 5.848 0.193 1.00 0.00 C ATOM 849 C LEU A 54 2.754 6.464 -0.961 1.00 0.00 C ATOM 850 O LEU A 54 3.627 5.839 -1.558 1.00 0.00 O ATOM 851 CB LEU A 54 0.681 5.157 -0.265 1.00 0.00 C ATOM 852 CG LEU A 54 0.880 3.752 -0.843 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.481 3.067 -0.916 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.472 3.778 -2.251 1.00 0.00 C ATOM 0 H LEU A 54 0.670 7.324 0.960 1.00 0.00 H new ATOM 0 HA LEU A 54 2.610 5.098 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.002 5.094 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.198 5.780 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 54 1.576 3.220 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.362 2.064 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.910 3.002 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.145 3.645 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.593 2.757 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.803 4.323 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.443 4.272 -2.228 1.00 0.00 H new ATOM 866 N LEU A 55 2.451 7.709 -1.287 1.00 0.00 N ATOM 867 CA LEU A 55 3.106 8.312 -2.447 1.00 0.00 C ATOM 868 C LEU A 55 4.484 8.839 -2.073 1.00 0.00 C ATOM 869 O LEU A 55 5.304 9.154 -2.935 1.00 0.00 O ATOM 870 CB LEU A 55 2.247 9.462 -2.972 1.00 0.00 C ATOM 871 CG LEU A 55 0.843 9.005 -3.375 1.00 0.00 C ATOM 872 CD1 LEU A 55 0.015 10.226 -3.765 1.00 0.00 C ATOM 873 CD2 LEU A 55 0.898 8.042 -4.559 1.00 0.00 C ATOM 0 H LEU A 55 1.786 8.305 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 55 3.222 7.551 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.169 10.233 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.739 9.916 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 55 0.390 8.489 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.987 9.909 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.050 10.907 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.490 10.735 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.113 7.733 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.361 8.539 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.486 7.165 -4.288 1.00 0.00 H new ATOM 885 N GLN A 56 4.764 8.943 -0.787 1.00 0.00 N ATOM 886 CA GLN A 56 6.076 9.456 -0.396 1.00 0.00 C ATOM 887 C GLN A 56 7.119 8.356 -0.545 1.00 0.00 C ATOM 888 O GLN A 56 8.314 8.617 -0.676 1.00 0.00 O ATOM 889 CB GLN A 56 6.012 9.952 1.046 1.00 0.00 C ATOM 890 CG GLN A 56 7.341 10.573 1.470 1.00 0.00 C ATOM 891 CD GLN A 56 7.248 11.113 2.887 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.513 10.417 3.866 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.868 12.372 3.012 1.00 0.00 N ATOM 0 H GLN A 56 4.137 8.694 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 56 6.359 10.288 -1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.214 10.688 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.766 9.123 1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.133 9.827 1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.608 11.377 0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.655 12.925 2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.788 12.791 3.939 1.00 0.00 H new ATOM 902 N MET A 57 6.678 7.111 -0.546 1.00 0.00 N ATOM 903 CA MET A 57 7.637 6.029 -0.753 1.00 0.00 C ATOM 904 C MET A 57 8.046 6.007 -2.220 1.00 0.00 C ATOM 905 O MET A 57 9.135 5.561 -2.578 1.00 0.00 O ATOM 906 CB MET A 57 6.996 4.702 -0.354 1.00 0.00 C ATOM 907 CG MET A 57 7.978 3.545 -0.530 1.00 0.00 C ATOM 908 SD MET A 57 9.458 3.840 0.454 1.00 0.00 S ATOM 909 CE MET A 57 8.778 3.585 2.102 1.00 0.00 C ATOM 0 H MET A 57 5.708 6.826 -0.413 1.00 0.00 H new ATOM 0 HA MET A 57 8.523 6.186 -0.138 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.668 4.750 0.684 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.108 4.526 -0.961 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.509 2.609 -0.225 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.245 3.440 -1.582 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.590 3.411 2.808 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.217 4.469 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.114 2.720 2.092 1.00 0.00 H new ATOM 919 N LEU A 58 7.172 6.504 -3.077 1.00 0.00 N ATOM 920 CA LEU A 58 7.530 6.606 -4.491 1.00 0.00 C ATOM 921 C LEU A 58 7.142 8.002 -4.961 1.00 0.00 C ATOM 922 O LEU A 58 6.039 8.202 -5.466 1.00 0.00 O ATOM 923 CB LEU A 58 6.730 5.582 -5.298 1.00 0.00 C ATOM 924 CG LEU A 58 7.002 4.138 -4.872 1.00 0.00 C ATOM 925 CD1 LEU A 58 6.046 3.212 -5.619 1.00 0.00 C ATOM 926 CD2 LEU A 58 8.438 3.735 -5.196 1.00 0.00 C ATOM 0 H LEU A 58 6.238 6.835 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 58 8.596 6.421 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.666 5.793 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.970 5.694 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 58 6.852 4.058 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.232 2.180 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.017 3.479 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.205 3.315 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.606 2.704 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.607 3.821 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.128 4.392 -4.667 1.00 0.00 H new ATOM 938 N GLU A 59 8.003 9.000 -4.815 1.00 0.00 N ATOM 939 CA GLU A 59 9.312 8.794 -4.191 1.00 0.00 C ATOM 940 C GLU A 59 9.756 10.120 -3.601 1.00 0.00 C ATOM 941 O GLU A 59 9.465 10.457 -2.454 1.00 0.00 O ATOM 942 CB GLU A 59 10.354 8.371 -5.229 1.00 0.00 C ATOM 943 CG GLU A 59 10.121 6.958 -5.763 1.00 0.00 C ATOM 944 CD GLU A 59 11.220 6.572 -6.739 1.00 0.00 C ATOM 945 OE1 GLU A 59 12.339 6.245 -6.288 1.00 0.00 O ATOM 946 OE2 GLU A 59 10.971 6.593 -7.964 1.00 0.00 O ATOM 0 H GLU A 59 7.824 9.958 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 59 9.228 8.014 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.338 9.076 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.347 8.426 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.096 6.249 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.151 6.905 -6.258 1.00 0.00 H new ATOM 953 N LYS A 60 10.478 10.885 -4.396 1.00 0.00 N ATOM 954 CA LYS A 60 10.958 12.169 -3.894 1.00 0.00 C ATOM 955 C LYS A 60 12.315 12.463 -4.511 1.00 0.00 C ATOM 956 O LYS A 60 13.095 11.561 -4.816 1.00 0.00 O ATOM 957 CB LYS A 60 11.063 12.106 -2.371 1.00 0.00 C ATOM 958 CG LYS A 60 12.002 10.981 -1.938 1.00 0.00 C ATOM 959 CD LYS A 60 12.012 10.810 -0.419 1.00 0.00 C ATOM 960 CE LYS A 60 12.566 12.041 0.298 1.00 0.00 C ATOM 961 NZ LYS A 60 13.938 12.316 -0.155 1.00 0.00 N ATOM 0 H LYS A 60 10.740 10.658 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 60 10.265 12.966 -4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.428 13.059 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.075 11.947 -1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.693 10.047 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.012 11.195 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.998 10.615 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.612 9.939 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.930 12.904 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.556 11.879 1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.411 12.939 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.464 11.422 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.910 12.781 -1.085 1.00 0.00 H new ATOM 975 N GLN A 61 12.606 13.737 -4.706 1.00 0.00 N ATOM 976 CA GLN A 61 13.891 14.087 -5.307 1.00 0.00 C ATOM 977 C GLN A 61 14.614 15.064 -4.392 1.00 0.00 C ATOM 978 O GLN A 61 15.216 14.681 -3.389 1.00 0.00 O ATOM 979 CB GLN A 61 13.655 14.706 -6.685 1.00 0.00 C ATOM 980 CG GLN A 61 13.031 13.687 -7.635 1.00 0.00 C ATOM 981 CD GLN A 61 12.829 14.297 -9.013 1.00 0.00 C ATOM 982 OE1 GLN A 61 13.775 14.692 -9.692 1.00 0.00 O ATOM 983 NE2 GLN A 61 11.583 14.381 -9.441 1.00 0.00 N ATOM 0 H GLN A 61 12.000 14.523 -4.470 1.00 0.00 H new ATOM 0 HA GLN A 61 14.507 13.196 -5.430 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.000 15.573 -6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 61 14.600 15.062 -7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.674 12.810 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.074 13.348 -7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.819 14.045 -8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.385 14.782 -10.358 1.00 0.00 H new ATOM 992 N LYS A 62 14.567 16.340 -4.725 1.00 0.00 N ATOM 993 CA LYS A 62 15.249 17.312 -3.874 1.00 0.00 C ATOM 994 C LYS A 62 14.470 17.432 -2.574 1.00 0.00 C ATOM 995 O LYS A 62 13.321 17.922 -2.603 1.00 0.00 O ATOM 996 CB LYS A 62 15.320 18.683 -4.551 1.00 0.00 C ATOM 997 CG LYS A 62 16.427 18.783 -5.604 1.00 0.00 C ATOM 998 CD LYS A 62 16.192 17.936 -6.856 1.00 0.00 C ATOM 999 CE LYS A 62 14.923 18.358 -7.593 1.00 0.00 C ATOM 1000 NZ LYS A 62 14.786 17.570 -8.828 1.00 0.00 N ATOM 1001 OXT LYS A 62 15.003 17.037 -1.515 1.00 0.00 O ATOM 0 H LYS A 62 14.088 16.722 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 62 16.269 16.974 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.361 18.898 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.481 19.448 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.534 19.826 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.371 18.482 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.048 18.028 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.118 16.885 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.052 18.207 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.964 19.421 -7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.120 18.045 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.713 17.486 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.428 16.622 -8.597 1.00 0.00 H new TER 1015 LYS A 62